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Reconstructing Metabolic Pathways by Bidirectional Chemical Search

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Computational Methods in Systems Biology (CMSB 2007)

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Abstract

One of the main challenges in systems biology is the establishment of the metabolome: a catalogue of the metabolites and biochemical reactions present in a specific organism. Current knowledge of biochemical pathways as stored in public databases such as KEGG, is based on carefully curated genomic evidence for the presence of specific metabolites and enzymes that activate particular biochemical reactions. In this paper, we present an efficient method to build a substantial portion of the artificial chemistry defined by the metabolites and biochemical reactions in a given metabolic pathway, which is based on bidirectional chemical search. Computational results on the pathways stored in KEGG reveal novel biochemical pathways.

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References

  1. Deville, Y., Gilbert, D., van Helden, J., Wodak, S.J.: An overview of data models for the analysis of biochemical pathways. Briefings in Bioinformatics 4, 246–259 (2003)

    Article  Google Scholar 

  2. Karp, P.D., Mavrovouniotis, M.L.: Representing, analyzing, and synthesizing biochemical pathways. IEEE Expert 9, 11–21 (1994)

    Article  Google Scholar 

  3. Michal, G.: Biological Pathways: An Atlas of Biochemistry and Molecular Biology. John Wiley & Sons, New York (1999)

    Google Scholar 

  4. Lemer, C., Antezana, E., Couche, F., Fays, F., Santolaria, X., Janky, R., Deville, Y., Richelle, J., Wodak, S.J.: The aMAZE LightBench: A web interface to a relational database of cellular processes. Nucleic Acids Research 32, 443–448 (2004)

    Article  Google Scholar 

  5. Schomburg, I., Chang, A., Schomburg, D.: BRENDA, enzyme data and metabolic information. Nucleic Acids Research 30, 47–49 (2002)

    Article  Google Scholar 

  6. Caspi, R., Foerster, H., Fulcher, C.A., Hopkinson, R., Ingraham, J., Kaipa, P., Krummenacker, M., Paley, S., Pick, J., Rhee, S.Y., Tissier, C., Zhang, P., Karp, P.D.: MetaCyc: A multiorganism database of metabolic pathways and enzymes. Nucleic Acids Res. 34, 511–516 (2006)

    Article  Google Scholar 

  7. Kanehisa, M., Goto, S.: KEGG: Kyoto encyclopedia of genes and genomes. Nucleic Acids Research 28, 27–30 (2000)

    Article  Google Scholar 

  8. Overbeek, R., Larsen, N., Pusch, G.D., D’Souza, M., Selkov, E., Kyrpides, N., Fonstein, M., Maltsev, N., Selkov, E.: WIT: Integrated system for high-throughput genome sequence analysis and metabolic reconstruction. Nucleic Acids Research 28, 123–125 (2000)

    Article  Google Scholar 

  9. Edwards, J.S., Palsson, B.O.: The Escherichia coli MG1655 in silico metabolic genotype: its definition, characteristics, and capabilities. Proc. Natural Academy of Science, USA 97, 5528–5533 (2000)

    Article  Google Scholar 

  10. Dittrich, P., Ziegler, J., Banzhaff, W.: Artificial chemistries—a review. Artif. Life 7, 225–275 (2001)

    Article  Google Scholar 

  11. Benkö, G., Flamm, C., Stadler, P.F.: A graph-based toy model of chemistry. J. Chem. Inf. Comput. Sci. 43, 1085–1093 (2003)

    Article  Google Scholar 

  12. Benkö, G., Flamm, C., Stadler, P.F.: Generic properties of chemical networks: Artificial chemistry based on graph rewriting. In: Banzhaf, W., Ziegler, J., Christaller, T., Dittrich, P., Kim, J.T. (eds.) ECAL 2003. LNCS (LNAI), vol. 2801, pp. 10–19. Springer, Heidelberg (2003)

    Google Scholar 

  13. Benkö, G., Flamm, C., Stadler, P.F.: Multi-phase artificial chemistry. In: Schaub, H., Detje, F., Brüggemann, U. (eds.) The Logic of Artificial Life: Abstracting and Synthesizing the Principles of Living Systems, pp. 16–22. IOS Press, Amsterdam (2004)

    Google Scholar 

  14. McCaskill, J., Niemann, U.: Graph replacement chemistry for DNA processing. In: Condon, A., Rozenberg, G. (eds.) DNA 2000. LNCS, vol. 2054, pp. 103–116. Springer, Heidelberg (2001)

    Chapter  Google Scholar 

  15. Rosselló, F., Valiente, G.: Chemical graphs, chemical reaction graphs, and chemical graph transformation. Electr. Notes Theoret. Comput. Sci. 127, 157–166 (2005)

    Article  Google Scholar 

  16. Rosselló, F., Valiente, G.: Graph transformation in molecular biology. In: Kreowski, H.-J., Montanari, U., Orejas, F., Rozenberg, G., Taentzer, G. (eds.) Formal Methods in Software and Systems Modeling. LNCS, vol. 3393, pp. 116–133. Springer, Heidelberg (2005)

    Google Scholar 

  17. Temkin, O.N., Zeigarnik, A.V., Bonchev, D.: Chemical Reaction Networks: A Graph-theoretical Approach. CRC Press, Boca Raton, USA (1996)

    Google Scholar 

  18. Rosselló, F., Valiente, G.: Analysis of metabolic pathways by graph transformation. In: Ehrig, H., Engels, G., Parisi-Presicce, F., Rozenberg, G. (eds.) ICGT 2004. LNCS, vol. 3256, pp. 70–82. Springer, Heidelberg (2004)

    Google Scholar 

  19. Tubert-Brohman, I.: Perl and chemistry. The Perl Journal 8, 3–5 (2004), http://www.perlmol.org/

    Google Scholar 

  20. Kanehisa, M., Goto, S., Hattori, M., Aoki-Kinoshita, K.F., Itoh, M., Kawashima, S., Katayama, T., Araki, M., Hirakawa, M.: From genomics to chemical genomics: New developments in KEGG. Nucleic Acids Res. 34, D354–D357 (2006)

    Article  Google Scholar 

  21. Ma, H., Zeng, A.-P.: Reconstruction of metabolic networks from genome data and analysis of their global structure for various organisms. Bioinformatics 2, 270–277 (2003)

    Article  Google Scholar 

  22. Brooksbank, C., Cameron, G., Thornton, J.: The European Bioinformatics Institute’s data resources: Towards systems biology. Nucleic Acids Res. 33, D46–D53 (2005)

    Article  Google Scholar 

  23. Wagner, A.B.: Scifinder scholar 2006: An empirical analysis of research topic query processing. J. Chem. Inf. Model. 46, 767–774 (2006)

    Article  Google Scholar 

  24. Bartley, G.E., Scolnik, P.A., Beyer, P.: Two Arabidopsis thaliana carotene desaturases, phytoene desaturase and ζ-carotene desaturase, expressed in Escherichia coli, catalyze a poly-cis pathway to yield pro-lycopene. Eur. J. Biochem. 259, 396–403 (1999)

    Article  Google Scholar 

  25. Scolnik, P.A., Bartley, G.E.: Nucleotide sequence of Zeta-carotene Desaturase (accession no. U38550) from Arabidopsis. Plant Physiol. 109, 1499 (1995)

    Google Scholar 

  26. Estévez, J.M., Cantero, A., Reindl, A., Reichler, S., León, P.: 1-deoxy-D-xylulose-5-phosphate synthase, a limiting enzyme for plastidic isoprenoid biosynthesis in plants. J. Biol. Chem. 276, 22901–22909 (2001)

    Article  Google Scholar 

  27. Seo, M., Koshiba, T.: Complex regulation of ABA biosynthesis in plants. Trends Plant Sci. 7, 41–48 (2002)

    Article  Google Scholar 

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Muffy Calder Stephen Gilmore

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Félix, L., Rosselló, F., Valiente, G. (2007). Reconstructing Metabolic Pathways by Bidirectional Chemical Search. In: Calder, M., Gilmore, S. (eds) Computational Methods in Systems Biology. CMSB 2007. Lecture Notes in Computer Science(), vol 4695. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-75140-3_15

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  • DOI: https://doi.org/10.1007/978-3-540-75140-3_15

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-75139-7

  • Online ISBN: 978-3-540-75140-3

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